{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4424692 -5.4959612 -5.0532944 ] [ -3.4828507 -5.6115548 4.773499 ] [ -5.0862411 2.5686358 11.2458522 ] [ -15.4681119 5.6632008 -4.1516163 ] [ 6.07979 -6.1573434 -12.1801067 ] [ 13.9435384 -9.3780132 11.3583786 ] [ 3.571406 18.411036 -5.9927125 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.089138076640794e-10 -8.805500543463913e-09 -8.096270145699564e-09 ] [ -5.580141965276915e-09 -8.990701906898021e-09 7.64798849721218e-09 ] [ -8.149056578172074e-09 4.115408226109905e-09 1.801784147581225e-08 ] [ -2.478264725409827e-08 9.073447920655856e-09 -6.651622574392198e-09 ] [ 9.740897397373632e-09 -9.865151641717183e-09 -1.951468219358944e-08 ] [ 2.234001123570704e-08 -1.502523349859379e-08 1.819812864311504e-08 ] [ 5.722023196584845e-09 2.949773144390715e-08 -9.60138386267592e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.70123465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.123501761924871e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5823964 0.907085 2.4395857 ] [ 1.2335614 1.2039245 4.3628375 ] [ 2.1624708 3.1014717 5.4258802 ] [ 1.5724754 4.9154661 4.0276846 ] [ 4.1632158 2.6611658 2.5731055 ] [ 4.455794 2.8456345 4.9117904 ] [ 2.9213192 4.6186294 2.1044371 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5823964e-10 9.07085e-11 2.4395857e-10 ] [ 1.2335614e-10 1.2039245e-10 4.362837500000001e-10 ] [ 2.1624708e-10 3.1014717e-10 5.425880200000001e-10 ] [ 1.5724754e-10 4.9154661e-10 4.0276846e-10 ] [ 4.1632158e-10 2.6611658e-10 2.5731055e-10 ] [ 4.455794e-10 2.8456345e-10 4.9117904e-10 ] [ 2.9213192e-10 4.6186294e-10 2.1044371e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 1.36e-05 -1.1e-06 ] [ -2.48e-05 -3.9e-06 5.9e-06 ] [ 8.1e-06 -2e-07 -9.5e-06 ] [ -1e-06 -6.8e-06 -2e-07 ] [ 1.31e-05 1.12e-05 9.8e-06 ] [ 1.28e-05 -3.5e-06 8e-07 ] [ -9.1e-06 -1.03e-05 -5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 2.178960204288e-14 -1.76239428288e-15 ] [ -3.973398019584e-14 -6.24848882112e-15 9.45284206272e-15 ] [ 1.297763062848e-14 -3.2043532416e-16 -1.52206778976e-14 ] [ -1.6021766208e-15 -1.089480102144e-14 -3.2043532416e-16 ] [ 2.098851373248e-14 1.794437815296e-14 1.570133088384e-14 ] [ 2.050786074624e-14 -5.6076181728e-15 1.28174129664e-15 ] [ -1.457980724928e-14 -1.650241919424e-14 -9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }