{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0647644 0.143829 0.6473224 ] [ 1.313892 1.683397 0.0769283 ] [ 0.1194939 2.399252 1.546304 ] [ 2.728192 0.2406182 0.1106797 ] [ 2.458193 2.956348 2.547264 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.47644e-12 1.43829e-11 6.473223999999999e-11 ] [ 1.313892e-10 1.683397e-10 7.69283e-12 ] [ 1.194939e-11 2.399252e-10 1.546304e-10 ] [ 2.728192e-10 2.406182e-11 1.106797e-11 ] [ 2.458193e-10 2.956348e-10 2.547264000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.55345 -7.7711326 -0.5551307 ] [ 2.4869341 4.0667775 -4.2969318 ] [ -2.9442501 6.6583909 5.2798016 ] [ 4.010766 -2.9540358 -0.4277391 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.69325451318176e-09 -1.245072696885672e-08 -8.894174290283386e-10 ] [ 3.984507672490289e-09 6.515695832495471e-09 -6.884443671132062e-09 ] [ -4.717208676008062e-09 1.066791823212747e-08 8.459174685982433e-09 ] [ 6.425955516699534e-09 -4.732887095766225e-09 -6.853135858220332e-10 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -4.3380457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.950315400501972e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.6298174 -0.5234365 0.2994226 ] [ 0.9707365 0.9995563 0.3732179 ] [ 0.7980359 2.8726442 1.5237861 ] [ 3.0898028 0.6520262 -0.1338057 ] [ 2.4557775 3.4226541 2.8658775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.298174e-11 -5.234365e-11 2.994226e-11 ] [ 9.707365000000001e-11 9.995563e-11 3.732179e-11 ] [ 7.980359e-11 2.8726442e-10 1.5237861e-10 ] [ 3.0898028e-10 6.520262e-11 -1.338057e-11 ] [ 2.4557775e-10 3.4226541e-10 2.8658775e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.6392886 0.6406275 -0.0751964 ] [ -0.6799423 -1.0412605 -0.2190243 ] [ 0.3904261 0.1752068 0.3661388 ] [ -0.1070155 -0.1143683 -0.1563626 ] [ -0.242757 0.3397946 0.0844445 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.024253248863963e-09 1.026398403141552e-09 -1.204779140483251e-10 ] [ -1.08938765655298e-09 -1.668283229262518e-09 -3.509156128470855e-10 ] [ 6.255315695701229e-10 2.807122387651814e-10 5.866190253277671e-10 ] [ -1.714577321632224e-10 -1.832382164206407e-10 -2.505205020875021e-10 ] [ -3.889395899355456e-10 5.444109639940877e-10 1.352950036551456e-10 ] ] } "relaxed-potential-energy" { "source-value" -9.8979713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.585829821020938e-18 } }