{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.3762438 -7.402273 -1.3106196 ] [ 5.5120119 -4.009392 -2.6222566 ] [ 4.7084107 -16.5512416 5.7514799 ] [ 8.5591021 9.2396606 -3.7490662 ] [ -6.9427063 3.5179343 -14.4284262 ] [ 5.7511378 1.8572185 11.1485195 ] [ -6.2117123 13.3480932 5.2103691 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.822675184888095e-08 -1.185974874137908e-08 -2.099844081882248e-09 ] [ 8.831216599751387e-09 -6.423754126022554e-09 -4.201318218258498e-09 ] [ 7.543705544664562e-09 -2.651801233673239e-08 9.214886630781121e-09 ] [ 1.371319327966019e-08 1.48035681974469e-08 -6.006666215471498e-09 ] [ -1.112344171894087e-08 5.636352088970413e-09 -2.311688713257819e-08 ] [ 9.214338526159146e-09 2.975592060417245e-09 1.78618972994329e-08 ] [ -9.952260222195796e-09 2.138600285729946e-08 8.347931557758738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.0191945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.632929599947946e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3869999 2.4840277 2.7322554 ] [ 5.9571628 2.3385797 2.0598763 ] [ 4.3759958 1.3055178 3.4824498 ] [ 4.8797749 4.4054174 1.6618324 ] [ 3.0543941 3.2969521 0.5837737 ] [ 4.6948767 2.9997273 5.1410299 ] [ 3.5477047 4.518233 3.6917655 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3869999e-10 2.4840277e-10 2.7322554e-10 ] [ 5.9571628e-10 2.3385797e-10 2.0598763e-10 ] [ 4.3759958e-10 1.3055178e-10 3.4824498e-10 ] [ 4.8797749e-10 4.4054174e-10 1.6618324e-10 ] [ 3.0543941e-10 3.2969521e-10 5.837737e-11 ] [ 4.694876700000001e-10 2.9997273e-10 5.141029900000001e-10 ] [ 3.5477047e-10 4.518233000000001e-10 3.6917655e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-05 -1e-07 -1.21e-05 ] [ -6.1e-06 -5.2e-06 1.42e-05 ] [ 2.1e-06 7.7e-06 -1e-05 ] [ -1.3e-05 -2.46e-05 1.29e-05 ] [ -2.96e-05 2.39e-05 3.34e-05 ] [ -1.98e-05 7e-07 -2e-07 ] [ 5.4e-06 -2.3e-06 -3.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.773277386880001e-14 -1.6021766208e-16 -1.938633711168e-14 ] [ -9.77327738688e-15 -8.33131842816e-15 2.275090801536e-14 ] [ 3.36457090368e-15 1.233675998016e-14 -1.6021766208e-14 ] [ -2.08282960704e-14 -3.941354487168e-14 2.066807840832e-14 ] [ -4.742442797568e-14 3.829202123712e-14 5.351269913472e-14 ] [ -3.172309709184e-14 1.12152363456e-15 -3.2043532416e-16 ] [ 8.65175375232e-15 -3.68500622784e-15 -6.120314691456e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }