{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4508733 -1.1352794 1.0466556 ] [ -0.5276629 0.6765821 -0.9677633 ] [ -0.4190445 -0.3174324 -0.0862542 ] [ -0.4025504 -0.623921 0.2586422 ] [ -0.2233397 0.9139355 -1.471599 ] [ 1.0192836 0.9419492 -0.0168958 ] [ 0.1024406 -0.4558339 1.2372144 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.223786602029446e-10 -1.818918112755851e-09 1.676927132349396e-09 ] [ -8.454091620435284e-10 1.084004022671768e-09 -1.550527733728257e-09 ] [ -6.713833009748257e-10 -5.08582769964434e-10 -1.381944626858074e-10 ] [ -6.449568395736883e-10 -9.996316394261567e-10 4.143904859922777e-10 ] [ -3.578296458364857e-10 1.464286091019158e-09 -2.357761512992659e-09 ] [ 1.633072353884859e-09 1.509168986221264e-09 -2.707005574971264e-11 ] [ 1.641279343407245e-10 -7.303264175480852e-10 1.982235986597099e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.957237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.197501853716473e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3198148 2.3217836 2.0210516 ] [ 3.0688137 4.3363571 1.0234135 ] [ 2.4547031 3.7335991 3.9058584 ] [ 5.5942708 3.1661975 1.5122624 ] [ 4.5042933 1.5145479 2.7694233 ] [ 4.4885864 4.76081 2.8673986 ] [ 4.6355689 3.0620908 4.5788881 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3198148e-10 2.3217836e-10 2.0210516e-10 ] [ 3.0688137e-10 4.3363571e-10 1.0234135e-10 ] [ 2.4547031e-10 3.733599100000001e-10 3.9058584e-10 ] [ 5.5942708e-10 3.1661975e-10 1.5122624e-10 ] [ 4.5042933e-10 1.5145479e-10 2.7694233e-10 ] [ 4.4885864e-10 4.760810000000001e-10 2.8673986e-10 ] [ 4.6355689e-10 3.0620908e-10 4.5788881e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.7145808 0.0918263 0.33005 ] [ 0.2460182 -0.4826455 -0.2106618 ] [ 0.0399304 0.1770131 0.2630265 ] [ -0.2094546 0.1413276 -0.146716 ] [ -0.4071809 0.3604433 -0.1050397 ] [ -0.1110627 0.1001142 0.1730381 ] [ -0.2728313 -0.388079 -0.303697 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.144884651432561e-09 1.47121951034567e-10 5.2879839369504e-10 ] [ 3.941646083312985e-10 -7.732833362343265e-10 -3.375174108556455e-10 ] [ 6.397555333919232e-11 2.836062503953325e-10 4.214149089508512e-10 ] [ -3.355832632390157e-10 2.264317765937741e-10 -2.350649450972928e-10 ] [ -6.523757184163027e-10 5.774938283840007e-10 -1.682921515958458e-10 ] [ -1.779420613829242e-10 1.604006306500954e-10 2.772375983276525e-10 ] [ -4.371239302824711e-10 -6.217711008234433e-10 -4.865762332070976e-10 ] ] } "relaxed-potential-energy" { "source-value" -21.875369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.504820478317308e-18 } }