{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7655839 2.475119 1.769415 ] [ 1.428497 2.830976 4.007072 ] [ 0.7084804 4.393179 2.503204 ] [ 3.286235 1.82381 2.638008 ] [ 3.156295 4.152222 2.34568 ] [ 4.226983 3.319682 4.150219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.655839e-11 2.475119e-10 1.769415e-10 ] [ 1.428497e-10 2.830976e-10 4.007072e-10 ] [ 7.084804e-11 4.393179e-10 2.503204e-10 ] [ 3.286235e-10 1.82381e-10 2.638008e-10 ] [ 3.156295e-10 4.152222e-10 2.34568e-10 ] [ 4.226983e-10 3.319682e-10 4.150219e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2509157 -6.5959537 -3.5789222 ] [ 2.3015125 -0.7033746 2.8086238 ] [ -0.9931688 8.0675283 1.2182983 ] [ -1.0604617 -2.7580444 -1.0596551 ] [ -2.0750396 2.2389905 -2.2768439 ] [ 0.576242 -0.249146 2.8884992 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.004187905643754e-09 -1.056788289708585e-08 -5.734065523743874e-09 ] [ 3.687429550358924e-09 -1.126930349069096e-09 4.499911426056289e-09 ] [ -1.591231844977819e-09 1.292560533639374e-08 1.951929069501922e-09 ] [ -1.699046956991918e-09 -4.41887429321455e-09 -1.697754641318933e-09 ] [ -3.324579961744707e-09 3.587258262847977e-09 -3.647906095845432e-09 ] [ 9.23241467929428e-10 -3.99175899654564e-10 4.627885925567693e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.400233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.467389347075572e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0927206 2.4338791 1.653901 ] [ 1.625362 2.920746 4.1090707 ] [ 0.584583 4.6354113 2.6513355 ] [ 3.2361506 1.6066952 2.6166766 ] [ 2.9582007 4.1098781 2.163438 ] [ 4.0750574 3.2883783 4.2191761 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0927206e-10 2.4338791e-10 1.653901e-10 ] [ 1.625362e-10 2.920746e-10 4.109070700000001e-10 ] [ 5.84583e-11 4.635411300000001e-10 2.6513355e-10 ] [ 3.2361506e-10 1.6066952e-10 2.6166766e-10 ] [ 2.9582007e-10 4.109878100000001e-10 2.163438e-10 ] [ 4.075057400000001e-10 3.2883783e-10 4.2191761e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-07 6e-07 -8.5e-06 ] [ -1.15e-05 -4e-06 1.31e-05 ] [ -1.4e-06 4.5e-06 1.4e-06 ] [ 5.1e-06 -5.8e-06 2.6e-06 ] [ -8e-07 4e-06 -8.3e-06 ] [ 8.1e-06 7e-07 -2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.408706536e-16 9.613059803999998e-16 -1.3618501389e-14 ] [ -1.8425031291e-14 -6.408706535999999e-15 2.09885139054e-14 ] [ -2.2430472876e-15 7.209794853e-15 2.2430472876e-15 ] [ 8.1711008334e-15 -9.2926244772e-15 4.165659248399999e-15 ] [ -1.2817413072e-15 6.408706535999999e-15 -1.32980660622e-14 ] [ 1.29776307354e-14 1.1215236438e-15 -3.204353268e-16 ] ] } "relaxed-potential-energy" { "source-value" -18.045537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891213772938245e-18 } }