{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0811127 0.494954 1.1428949 ] [ -3.4095509 6.397051 2.6541981 ] [ -17.9248186 -5.0510675 -5.7367698 ] [ 6.0260654 -7.3823271 -0.8143273 ] [ -0.4371976 -0.0155505 0.5329716 ] [ 16.3324592 5.6860454 2.2521937 ] [ -0.5058447 -0.1291055 -0.0311612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.299568715899642e-10 7.930037271714432e-10 1.831119488811554e-09 ] [ -5.462702739407599e-09 1.024920555426526e-08 4.25249414279178e-09 ] [ -2.871872529300098e-08 -8.092702258582706e-09 -9.191318452471494e-09 ] [ 9.654821099291801e-09 -1.182779188671827e-08 -1.304696161739188e-09 ] [ -7.004677733898701e-10 -2.49146475417504e-11 8.539146370703693e-10 ] [ 2.616748429040987e-08 9.110049004687384e-09 3.608412091653049e-09 ] [ -8.104525520955898e-10 -2.068498137166944e-10 -4.992574611607296e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -14.337306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.297089647845556e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3369065 2.1169381 3.1657041 ] [ 3.0390813 5.445356 2.8219725 ] [ 2.6695993 3.5927873 1.1323274 ] [ 4.5523154 1.920047 1.950543 ] [ 5.4699075 3.2856198 3.8784112 ] [ 5.0961536 4.4979309 1.6843176 ] [ 3.2093394 3.8468119 4.6946973 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3369065e-10 2.1169381e-10 3.1657041e-10 ] [ 3.0390813e-10 5.445356e-10 2.8219725e-10 ] [ 2.6695993e-10 3.5927873e-10 1.1323274e-10 ] [ 4.552315400000001e-10 1.920047e-10 1.950543e-10 ] [ 5.4699075e-10 3.2856198e-10 3.8784112e-10 ] [ 5.096153600000001e-10 4.4979309e-10 1.6843176e-10 ] [ 3.2093394e-10 3.8468119e-10 4.6946973e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.63e-05 5.4e-06 -1.98e-05 ] [ -1.96e-05 5.1e-06 2e-06 ] [ 7.3e-06 -1.76e-05 1.82e-05 ] [ -1.9e-06 1.49e-05 1.72e-05 ] [ 1.11e-05 -9.7e-06 -2.01e-05 ] [ 4.1e-06 -3.7e-06 1.84e-05 ] [ 1.53e-05 5.5e-06 -1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.611547891904e-14 8.65175375232e-15 -3.172309709184e-14 ] [ -3.140266176767999e-14 8.17110076608e-15 3.2043532416e-15 ] [ 1.169588933184e-14 -2.819830852608e-14 2.915961449856e-14 ] [ -3.04413557952e-15 2.387243164992e-14 2.755743787776e-14 ] [ 1.778416049088e-14 -1.554111322176e-14 -3.220375007808e-14 ] [ 6.568924145279999e-15 -5.928053496960001e-15 2.948004982272e-14 ] [ 2.451330229824e-14 8.8119714144e-15 -2.56348259328e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }