{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3723413 -3.6819163 -3.4572995 ] [ 1.0086998 0.7318284 -0.0330523 ] [ -0.2084906 -0.6718936 0.7103107 ] [ -2.244963 -2.648748 -3.8840743 ] [ 1.3709647 3.156541 4.2838501 ] [ -0.0610479 -0.1376745 0.1575258 ] [ 3.5071782 3.251863 2.2227396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.403086388218279e-09 -5.899080215602439e-09 -5.53920443000353e-09 ] [ 1.616115236965636e-09 1.172518352917471e-09 -5.295562232366784e-11 ] [ -3.340387649765645e-10 -1.076492217585147e-09 1.138043197044082e-09 ] [ -3.59682723316103e-09 -4.243762119990758e-09 -6.222973036910125e-09 ] [ 2.196527590282086e-09 5.057336192796652e-09 6.863484477231743e-09 ] [ -9.780951812893633e-11 -2.205788651803296e-10 2.523841539328166e-10 ] [ 5.619118917019426e-09 5.210058872644551e-09 3.561221421246344e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.694542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514542826656367e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1969354 3.1741834 1.4046003 ] [ 2.2466943 1.204853 2.6840349 ] [ 2.9369206 2.3699655 4.6013332 ] [ 4.4282863 0.4232038 2.3859722 ] [ 5.11434 2.2818984 3.6342172 ] [ 4.2286581 4.2401728 0.7998032 ] [ 3.6489593 4.1447349 3.1251979 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1969354e-10 3.1741834e-10 1.4046003e-10 ] [ 2.2466943e-10 1.204853e-10 2.6840349e-10 ] [ 2.9369206e-10 2.3699655e-10 4.6013332e-10 ] [ 4.4282863e-10 4.232038e-11 2.3859722e-10 ] [ 5.114340000000001e-10 2.2818984e-10 3.6342172e-10 ] [ 4.2286581e-10 4.2401728e-10 7.998032000000001e-11 ] [ 3.6489593e-10 4.144734900000001e-10 3.1251979e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1306688 0.1822719 0.1456745 ] [ 0.0858094 -0.0571435 -0.0660722 ] [ -0.0372596 -0.0162827 -0.0848329 ] [ 0.0700775 0.0079757 0.0734987 ] [ -0.0144412 -0.0481594 0.0288054 ] [ 0.0101157 -0.0947993 0.0142706 ] [ 0.016367 0.0261372 -0.111344 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.09354496427991e-10 2.920317768087955e-10 2.333962781467296e-10 ] [ 1.374818145248755e-10 -9.155397973068481e-11 -1.058593341248218e-10 ] [ -5.969646002035968e-11 -2.608776126350016e-11 -1.359172890546643e-10 ] [ 1.12276532144112e-10 1.277848007451456e-11 1.17757898799193e-10 ] [ -2.313735301629696e-11 -7.715986475175551e-11 4.615133843279232e-11 ] [ 1.620713804302656e-11 -1.518852221282054e-10 2.286402168478848e-11 ] [ 2.62228247526336e-11 4.187641077317376e-11 -1.783927536663552e-10 ] ] } "relaxed-potential-energy" { "source-value" -21.303612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.413214908499433e-18 } }