{ "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" [ [ 0.6874791 0.1657934 2.219954 ] [ 0.5100092 2.362694 1.535272 ] [ 2.868635 0.820347 0.8272379 ] [ 1.615801 0.0071538 0.7495484 ] [ 2.741884 2.697599 0.8166341 ] [ 2.318736 2.919901 2.403388 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.874791e-11 1.657934e-11 2.219954e-10 ] [ 5.100092000000001e-11 2.362694e-10 1.535272e-10 ] [ 2.868635e-10 8.203470000000001e-11 8.272379e-11 ] [ 1.615801e-10 7.1538e-13 7.495484e-11 ] [ 2.741884e-10 2.697599e-10 8.166341000000001e-11 ] [ 2.318736e-10 2.919901e-10 2.403388e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.911811 -3.2058486 14.435996 ] [ -16.700856 7.1840472 2.0154573 ] [ 37.6511467 0.3571052 -5.3031521 ] [ -18.8224903 -25.8008427 -14.7845027 ] [ 9.8572259 12.1168728 -17.6162375 ] [ -0.0732153 9.348666 21.252439 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.908482509558827e-08 -5.136335676744411e-09 2.312901528916232e-08 ] [ -2.675772103054741e-08 1.15101124665637e-08 3.229118566280692e-09 ] [ 6.032378698905107e-08 5.721456026061082e-10 -8.496586311166424e-09 ] [ -3.015695390389478e-08 -4.133750697087835e-08 -2.368738457609448e-08 ] [ 1.579301688292424e-08 1.941337031736743e-08 -2.822432386896024e-08 ] [ -1.173038419448582e-10 1.497821410086785e-08 3.405016090077813e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.215673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.59803721711378e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.245406 0.1248909 2.274662 ] [ -0.0222032 2.4414712 2.3235867 ] [ 3.6030541 0.5496969 0.5270781 ] [ 1.5098292 -0.4724375 0.4078494 ] [ 3.335434 2.8662744 0.5760167 ] [ 2.0710241 3.4635924 2.4428416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.45406e-11 1.248909e-11 2.274662e-10 ] [ -2.22032e-12 2.4414712e-10 2.3235867e-10 ] [ 3.6030541e-10 5.496969000000001e-11 5.270781e-11 ] [ 1.5098292e-10 -4.724375e-11 4.078494e-11 ] [ 3.335434e-10 2.8662744e-10 5.760167000000001e-11 ] [ 2.0710241e-10 3.4635924e-10 2.4428416e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.21e-05 1.02e-05 -6.6e-06 ] [ -2.4e-06 -1.1e-06 5e-06 ] [ -1.39e-05 -1.17e-05 3.8e-06 ] [ 5.7e-06 -1.86e-05 -1.19e-05 ] [ -5.3e-06 5.7e-06 7.3e-06 ] [ 3.9e-06 1.56e-05 2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.938633711168e-14 1.634220153216e-14 -1.057436569728e-14 ] [ -3.84522388992e-15 -1.76239428288e-15 8.010883104e-15 ] [ -2.227025502912e-14 -1.874546646336e-14 6.08827115904e-15 ] [ 9.13240673856e-15 -2.980048514688e-14 -1.906590178752e-14 ] [ -8.491536090240001e-15 9.13240673856e-15 1.169588933184e-14 ] [ 6.24848882112e-15 2.499395528448e-14 3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.97972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.438709744533018e-18 } }