{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.0711259 -26.023029 -20.2988173 ] [ -19.9291112 25.9321906 15.0552478 ] [ -4.8902526 -9.7220462 12.5190719 ] [ 0.9130851 2.0958661 -9.7604903 ] [ 2.6610971 4.48819 4.3354723 ] [ 8.722921 -3.971564 -7.3318575 ] [ 4.4511346 7.2003925 5.4813731 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.293136932705222e-08 -4.169348900970439e-08 -3.252229077589496e-08 ] [ -3.19299563010277e-08 4.154794984775443e-08 2.41211662442399e-08 ] [ -7.835048450077747e-09 -1.557643525630849e-08 2.005776447754598e-08 ] [ 1.462923612073553e-09 3.357947693412707e-09 -1.563802949504365e-08 ] [ 4.263547594425162e-09 7.19087314695246e-09 6.946192416414238e-09 ] [ 1.397566020642791e-08 -6.363147041235575e-09 -1.174693077031765e-08 ] [ 7.131503850908935e-09 1.153630061912884e-08 8.782127903056144e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0267878 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.286033185923626e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3967873 1.1055978 2.2014731 ] [ 1.2424984 3.3622159 2.9679405 ] [ 2.1586508 1.7049814 4.6524786 ] [ 3.3025079 3.4269504 1.3053175 ] [ 4.3624685 2.8149351 4.703594 ] [ 4.8184224 1.7885988 2.5058321 ] [ 3.3280827 4.7022036 3.4954102 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3967873e-10 1.1055978e-10 2.2014731e-10 ] [ 1.2424984e-10 3.3622159e-10 2.9679405e-10 ] [ 2.1586508e-10 1.7049814e-10 4.652478600000001e-10 ] [ 3.3025079e-10 3.4269504e-10 1.3053175e-10 ] [ 4.3624685e-10 2.8149351e-10 4.703594e-10 ] [ 4.8184224e-10 1.7885988e-10 2.5058321e-10 ] [ 3.3280827e-10 4.7022036e-10 3.4954102e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.5e-06 1.65e-05 -6.7e-06 ] [ 3.44e-05 -1.4e-06 -5.4e-06 ] [ -1.34e-05 3.34e-05 2.63e-05 ] [ 6.3e-06 3.66e-05 -2.3e-06 ] [ 9.2e-06 4.18e-05 1.05e-05 ] [ -3.1e-06 -2.44e-05 -2.65e-05 ] [ -3.99e-05 -0.0001025 4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0414148121e-14 2.6435914461e-14 -1.07345834478e-14 ] [ 5.51148762096e-14 -2.2430472876e-15 -8.6517538236e-15 ] [ -2.14691668956e-14 5.351269957559999e-14 4.21372454742e-14 ] [ 1.00937127942e-14 5.86396648044e-14 -3.685006258199999e-15 ] [ 1.47400250328e-14 6.697098330119999e-14 1.6822854657e-14 ] [ -4.9667475654e-15 -3.909310986959999e-14 -4.2457680801e-14 ] [ -6.392684769659999e-14 -1.64223104985e-13 6.408706535999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }