{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.0106147e-10 9.531644e-11 -2.585533e-11 ] [ 8.62065e-12 1.139461e-11 3.1595211e-10 ] [ -9.962979e-11 1.668001e-10 2.0490856e-10 ] [ 2.126786e-10 -8.41986e-12 3.9572343e-10 ] [ 2.5838024e-10 1.8540193e-10 9.857881e-11 ] [ 3.4975766e-10 1.312464e-10 2.9176333e-10 ] ] "source-value" [ [ 1.0106147 0.9531644 -0.2585533 ] [ 0.0862065 0.1139461 3.1595211 ] [ -0.9962979 1.668001 2.0490856 ] [ 2.126786 -0.0841986 3.9572343 ] [ 2.5838024 1.8540193 0.9857881 ] [ 3.4975766 1.312464 2.9176333 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.74941665225152e-10 1.45269354207936e-10 -4.170744522674419e-10 ] [ -7.233872303857382e-10 -2.032923407478701e-10 1.75977151975175e-10 ] [ -4.636905821379283e-10 5.191629034975488e-11 -1.84536620354137e-10 ] [ 1.812097486663444e-09 1.088891782888842e-09 -3.379354187360121e-10 ] [ 5.162253126633121e-10 1.01351770419863e-10 6.506102799978433e-11 ] [ -9.663033215779374e-10 -1.184136857118526e-09 6.985084716002938e-10 ] ] "source-value" [ [ -0.10919 0.09067 -0.2603174 ] [ -0.4515028 -0.1268851 0.1098363 ] [ -0.2894129 0.0324036 -0.1151787 ] [ 1.1310223 0.6796328 -0.2109227 ] [ 0.3222025 0.0632588 0.0406079 ] [ -0.6031191 -0.7390801 0.4359747 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.049397147711428e-18 "source-value" -12.791331 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.840584526453206e-09 -2.476082721069959e-08 -4.907999921519777e-08 ] [ -3.371037160347419e-08 -3.972240815476095e-08 3.25829107830105e-08 ] [ -5.367764193609007e-08 5.666773545731983e-08 1.649058711989539e-09 ] [ 6.795693019834791e-09 -4.192399525859386e-08 1.031575708717538e-08 ] [ 2.302684817106013e-08 1.684413558958344e-08 -2.715818587800467e-08 ] [ 4.872488782221613e-08 3.289535957715113e-08 3.169045851102704e-08 ] ] "source-value" [ [ 5.5178589 -15.4544929 -30.6333263 ] [ -21.0403592 -24.7927773 20.3366535 ] [ -33.5029492 35.3692188 1.0292615 ] [ 4.241538 -26.1668999 6.4385892 ] [ 14.3722283 10.5132826 -16.9508065 ] [ 30.4116832 20.5316687 19.7796286 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.952251871840755e-18 "source-value" 18.426507 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.523669e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.297679e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.03523669 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.007297679 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] } "instance-id" 1 }