{ "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" [ [ 0.3247182 0.2574581 0.2093782 ] [ 0.0650872 0.6230634 2.300965 ] [ 0.7071473 2.551012 0.1142943 ] [ 0.540381 2.928346 2.93806 ] [ 2.649535 1.391538 0.3805226 ] [ 1.868471 1.381011 2.58095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.247182e-11 2.574581e-11 2.093782e-11 ] [ 6.50872e-12 6.230634000000001e-11 2.300965e-10 ] [ 7.071473000000001e-11 2.551012e-10 1.142943e-11 ] [ 5.40381e-11 2.928346e-10 2.93806e-10 ] [ 2.649535e-10 1.391538e-10 3.805226e-11 ] [ 1.868471e-10 1.381011e-10 2.58095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9444321 -4.3647488 -2.1247221 ] [ -5.334519 -3.9375412 -3.5813548 ] [ -1.0276414 -0.709103 12.2432653 ] [ -1.8499836 8.3720921 -1.7311438 ] [ 5.933901 -0.249027 -0.6731006 ] [ 5.2226751 0.8883279 -4.132944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.717500272153047e-09 -6.993098483024855e-09 -3.40418007431708e-09 ] [ -8.546841625013397e-09 -6.308636454076777e-09 -5.73796293134986e-09 ] [ -1.646463025646181e-09 -1.136108248339142e-09 1.96158734259119e-08 ] [ -2.964000472783419e-09 1.341357022980438e-08 -2.773598123602871e-09 ] [ 9.507157452341742e-09 -3.989852373479616e-10 -1.078426044766453e-09 ] [ 8.367647943254303e-09 1.42325819298436e-09 -6.621706251875635e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.859914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.060385355629861e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4040053 0.0942519 -0.1101655 ] [ -0.1226685 0.7174411 2.2370021 ] [ 0.7114321 2.56256 0.6429078 ] [ 0.2068665 3.1243108 3.0798166 ] [ 2.7336109 1.0022409 0.1628733 ] [ 2.2220934 1.6316238 2.5117357 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.040053e-11 9.42519e-12 -1.101655e-11 ] [ -1.226685e-11 7.174411000000001e-11 2.2370021e-10 ] [ 7.114321e-11 2.56256e-10 6.429078e-11 ] [ 2.068665e-11 3.1243108e-10 3.0798166e-10 ] [ 2.7336109e-10 1.0022409e-10 1.628733e-11 ] [ 2.2220934e-10 1.6316238e-10 2.5117357e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.9e-06 3e-07 2.66e-05 ] [ -4.3e-06 9.4e-05 1.4e-06 ] [ 1.43e-05 -5.48e-05 7.3e-06 ] [ 1e-05 -6.91e-05 -1.95e-05 ] [ -6.9e-06 3.97e-05 -1.21e-05 ] [ -2.3e-05 -1.02e-05 -3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.586154854592e-14 4.8065298624e-16 4.261789811328e-14 ] [ -6.889359469440001e-15 1.506046023552e-13 2.24304726912e-15 ] [ 2.291112567744e-14 -8.779927881984e-14 1.169588933184e-14 ] [ 1.6021766208e-14 -1.1071040449728e-13 -3.12424441056e-14 ] [ -1.105501868352e-14 6.360641184576e-14 -1.938633711168e-14 ] [ -3.68500622784e-14 -1.634220153216e-14 -5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.822631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.175935595094533e-18 } }