{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2422976 0.2155702 0.7539187 ] [ 0.1069263 2.303076 0.5134626 ] [ 0.4438839 2.233015 2.726304 ] [ 2.36111 0.1695128 0.2725886 ] [ 2.483594 1.001172 2.982027 ] [ 2.63043 2.516837 1.068712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.422976e-11 2.155702e-11 7.539187e-11 ] [ 1.069263e-11 2.303076e-10 5.134626e-11 ] [ 4.438839e-11 2.233015e-10 2.726304e-10 ] [ 2.36111e-10 1.695128e-11 2.725886e-11 ] [ 2.483594e-10 1.001172e-10 2.982027e-10 ] [ 2.63043e-10 2.516837e-10 1.068712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3467598 -2.9701756 -0.1830108 ] [ -0.540257 3.0722477 2.8103141 ] [ 8.0699023 -4.460629 -1.5052507 ] [ 1.2447417 -0.1614634 0.0053639 ] [ -7.9718136 9.216792 -6.1777123 ] [ -0.4558136 -4.6967717 5.0502958 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.555704445932839e-10 -4.758745905990612e-09 -2.932156251139046e-10 ] [ -8.655871346235456e-10 4.922283438246573e-09 4.502619548124593e-09 ] [ 1.292940879720015e-08 -7.146715497862483e-09 -2.411677479982835e-09 ] [ 1.994296050674847e-09 -2.586928845948787e-10 8.593915176309119e-12 ] [ -1.277225337529548e-08 1.476692866117647e-08 -9.897786217088595e-09 ] [ -7.302938933626829e-10 -7.525057810975072e-09 8.091465858884433e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9192774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.108590448310981e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.193021 0.3272581 -0.1582496 ] [ -0.7357161 1.8779302 1.1095917 ] [ 0.3480672 2.4779052 2.939033 ] [ 2.4007266 0.2572984 -0.1081049 ] [ 2.4941922 2.065854 3.1796246 ] [ 3.5679509 1.4329372 1.3551181 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.93021e-11 3.272581e-11 -1.582496e-11 ] [ -7.357161e-11 1.8779302e-10 1.1095917e-10 ] [ 3.480672e-11 2.4779052e-10 2.939033e-10 ] [ 2.4007266e-10 2.572984e-11 -1.081049e-11 ] [ 2.4941922e-10 2.065854e-10 3.1796246e-10 ] [ 3.5679509e-10 1.4329372e-10 1.3551181e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.4666734 0.3697075 -0.0199172 ] [ 0.2245427 -0.2784551 0.4948326 ] [ -0.9810707 0.0718078 -0.4528698 ] [ -0.1107917 0.3438271 0.2648322 ] [ 0.9192828 0.0440353 -0.4073023 ] [ -0.5186365 -0.5509226 0.1204245 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.476932110292468e-10 5.923367130344161e-10 -3.191087219179776e-11 ] [ 3.597570643113082e-10 -4.461342511625261e-10 7.928092229296781e-10 ] [ -1.57184853889189e-09 1.150487783510822e-10 -7.255774058263718e-10 ] [ -1.775078715186874e-10 5.508717412174637e-10 4.243079592750298e-10 ] [ 1.472853410063562e-09 7.055232814991425e-11 -6.525702226580679e-10 ] [ -8.309472749935391e-10 -8.826753095903502e-10 1.929413184715296e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.724675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.359153003387824e-18 } }