{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6678483 0.3705928 0.1642866 ] [ 0.4651457 2.25942 0.9775642 ] [ 2.325854 0.8972553 0.6909246 ] [ 2.51877 2.867173 0.7641457 ] [ 2.596702 2.283556 2.674442 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.678483e-11 3.705928e-11 1.642866e-11 ] [ 4.651457e-11 2.25942e-10 9.775642000000001e-11 ] [ 2.325854e-10 8.972553e-11 6.909246e-11 ] [ 2.51877e-10 2.867173e-10 7.641457000000001e-11 ] [ 2.596702e-10 2.283556e-10 2.674442e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4624166 1.1871836 1.2546882 ] [ -16.0134873 6.2152138 -0.5266559 ] [ 9.4796661 -17.8651478 -4.6630015 ] [ 3.7881833 9.3627987 -0.0911955 ] [ 2.2832214 1.0999516 4.0261648 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.408730716937243e-10 1.902077824188002e-09 2.010232116995519e-09 ] [ -2.565643518091575e-08 9.957870325674348e-09 -8.437957771382404e-10 ] [ 1.51880995235419e-08 -2.86231223681165e-08 -7.47095204760695e-09 ] [ 6.069338768569012e-09 1.500085730598557e-08 -1.46111299225947e-10 ] [ 3.658123977328767e-09 1.762316752050914e-09 6.450627167193282e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.9977493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.802923883049856e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.595768 0.2242241 0.1127543 ] [ -0.0327274 2.5715791 0.8180921 ] [ 2.5713085 0.4917941 0.1900577 ] [ 2.5322925 2.7605802 0.8711467 ] [ 2.9076785 2.6298196 3.2793122 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.95768e-11 2.242241e-11 1.127543e-11 ] [ -3.27274e-12 2.5715791e-10 8.180921e-11 ] [ 2.5713085e-10 4.917941e-11 1.900577e-11 ] [ 2.5322925e-10 2.7605802e-10 8.711467e-11 ] [ 2.9076785e-10 2.6298196e-10 3.2793122e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.21e-05 -2.19e-05 -7.67e-05 ] [ 6.2e-06 1.5e-06 -1.73e-05 ] [ 7.89e-05 8.47e-05 0.0001004 ] [ -6.38e-05 -7.04e-05 2.09e-05 ] [ 7.09e-05 6.1e-06 -2.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.475604679914e-13 -3.50876682846e-14 -1.228869478278e-13 ] [ 9.9334951308e-15 2.403264951e-15 -2.77176557682e-14 ] [ 1.264117364226e-13 1.357043608998e-13 1.608585340536e-13 ] [ -1.022188692492e-13 -1.127932350336e-13 3.34854916506e-14 ] [ 1.135943233506e-13 9.773277467399999e-15 -4.37394221082e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.614052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.860776274046096e-18 } }