{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.0133713 -16.120887 -6.0850986 ] [ -15.0985891 10.9808091 14.7370917 ] [ -10.9865372 2.5661029 -1.3647809 ] [ 12.3990411 -5.021134 -6.6606133 ] [ 16.0616514 -11.4381963 9.7841062 ] [ 3.3866667 -1.8488747 -24.7453082 ] [ 9.2511384 20.88218 14.3346031 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.405407249624971e-08 -2.582850825795865e-08 -9.749402712182811e-09 ] [ -2.419060646308572e-08 1.759319561748789e-08 2.361142378032573e-08 ] [ -1.76023730453895e-08 4.111350072947081e-09 -2.186620050494383e-09 ] [ 1.986545377075831e-08 -8.044743504703987e-09 -1.067147890944954e-08 ] [ 2.573360236451959e-08 -1.832601069598106e-08 1.567586620906433e-08 ] [ 5.426038209181888e-09 -2.962223819128614e-09 -3.964635427253053e-08 ] [ 1.482195766026512e-08 3.345694058733734e-08 2.29665659552672e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0529941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.130014225366034e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7505568 1.3590443 2.5853219 ] [ 2.1277727 2.9490925 4.5225559 ] [ 1.5617483 3.8380873 2.0932658 ] [ 4.150842 1.3208828 2.0120841 ] [ 4.5828525 2.4225071 4.1780051 ] [ 3.8520416 3.5703355 1.0414607 ] [ 3.7553912 4.6617556 3.3268215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7505568e-10 1.3590443e-10 2.5853219e-10 ] [ 2.1277727e-10 2.9490925e-10 4.5225559e-10 ] [ 1.5617483e-10 3.8380873e-10 2.0932658e-10 ] [ 4.150842e-10 1.3208828e-10 2.0120841e-10 ] [ 4.582852500000001e-10 2.4225071e-10 4.1780051e-10 ] [ 3.8520416e-10 3.5703355e-10 1.0414607e-10 ] [ 3.7553912e-10 4.6617556e-10 3.3268215e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-06 -1.02e-05 -9e-06 ] [ -3e-06 9.1e-06 5.5e-06 ] [ 1.73e-05 1.42e-05 8.1e-06 ] [ 1.7e-06 -2.9e-06 -8.6e-06 ] [ 2e-06 2.45e-05 4.1e-06 ] [ -6.2e-06 -1.07e-05 -1.55e-05 ] [ -1.03e-05 -2.39e-05 1.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4032649312e-15 -1.634220153216e-14 -1.44195895872e-14 ] [ -4.8065298624e-15 1.457980724928e-14 8.8119714144e-15 ] [ 2.771765553984e-14 2.275090801536e-14 1.297763062848e-14 ] [ 2.72370025536e-15 -4.646312200320001e-15 -1.377871893888e-14 ] [ 3.2043532416e-15 3.92533272096e-14 6.568924145279999e-15 ] [ -9.93349504896e-15 -1.714328984256e-14 -2.48337376224e-14 ] [ -1.650241919424e-14 -3.829202123712e-14 2.467351996032e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }