{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.1002744e-10 3.0454125e-10 1.5948186e-10 ] [ 2.4874429e-10 2.5799459e-10 3.9169103e-10 ] [ 3.5720471e-10 1.2196856e-10 2.2569859e-10 ] [ 4.874363599999999e-10 2.7314817e-10 3.6713166e-10 ] [ 3.123291e-10 5.0322871e-10 7.137927e-11 ] [ 4.5654032e-10 3.2045509e-10 1.336332e-10 ] [ 3.4449447e-10 4.6052172e-10 3.055503e-10 ] ] "source-value" [ [ 2.1002744 3.0454125 1.5948186 ] [ 2.4874429 2.5799459 3.9169103 ] [ 3.5720471 1.2196856 2.2569859 ] [ 4.8743636 2.7314817 3.6713166 ] [ 3.123291 5.0322871 0.7137927 ] [ 4.5654032 3.2045509 1.336332 ] [ 3.4449447 4.6052172 3.055503 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 7.150834693954559e-12 3.06368213429376e-12 -1.05519352245888e-12 ] [ -2.11311074517312e-12 -7.19585585699904e-12 1.134036633968448e-11 ] [ -6.32074698671808e-12 2.43594933426432e-12 2.66634233233536e-12 ] [ 1.38460103569536e-12 -7.93830450307776e-12 8.5299883291392e-12 ] [ -2.25458294078976e-12 -2.09772984961344e-12 1.46470986673536e-12 ] [ 6.0297917123808e-12 9.026823299249282e-12 -1.256010340109952e-11 ] [ -3.87662655168768e-12 2.70543544188288e-12 -1.0386109944336e-11 ] ] "source-value" [ [ 0.0044632 0.0019122 -0.0006586 ] [ -0.0013189 -0.0044913 0.0070781 ] [ -0.0039451 0.0015204 0.0016642 ] [ 0.0008642 -0.0049547 0.005324 ] [ -0.0014072 -0.0013093 0.0009142 ] [ 0.0037635 0.0056341 -0.0078394 ] [ -0.0024196 0.0016886 -0.0064825 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.757885537145243e-18 "source-value" -29.696386 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.151344307132302e-09 2.005944195143388e-09 2.216060526554569e-09 ] [ 1.118462676125962e-09 3.166103517825669e-09 -2.922816042092769e-09 ] [ 1.817347499014481e-09 1.292660610963738e-09 2.374996126902605e-10 ] [ -8.434178167215359e-11 -5.445383370354414e-10 5.348323831101673e-09 ] [ -6.915567874603047e-10 -1.764203140284883e-10 1.401354836401403e-09 ] [ -9.51346041516797e-10 1.448095134960002e-09 -2.104323287061018e-09 ] [ -5.722125735888577e-11 -7.191844807828868e-09 -4.176099477594119e-09 ] ] "source-value" [ [ -0.7186126 1.2520119 1.3831562 ] [ 0.6980895 1.9761264 -1.8242783 ] [ 1.1342991 0.8068153 0.1482356 ] [ -0.052642 -0.3398741 3.3381612 ] [ -0.4316358 -0.1101129 0.8746569 ] [ -0.5937835 0.9038299 -1.3134153 ] [ -0.0357147 -4.4887965 -2.6065163 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.34820032345293e-18 "source-value" -27.139332 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] "source-value" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] } "instance-id" 1 }