{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.22924100000000006 0.6666324000000001 2.5497318000000004 ] [ -3.677478400000001 -2.1902543000000003 -0.17911270000000004 ] [ 1.0147087000000001 -1.4761925000000002 -0.8614493000000002 ] [ 1.3274361000000001 0.6749774000000001 -0.8093625000000002 ] [ -1.0452945000000002 -1.3620608000000003 0.7732666000000002 ] [ 0.6112416000000002 0.6873671000000001 0.4742708000000001 ] [ -0.4977620000000001 1.0129128000000003 -0.5862862000000001 ] [ 2.4963895000000003 1.9866177000000005 -1.3610585000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.67284573754794e-10 1.068062854747342e-09 4.085120712926761e-09 ] [ -5.891969964519707e-09 -3.509174261978026e-09 -2.869701827926519e-10 ] [ 1.625742569456516e-09 -2.365121130786045e-09 -1.380193939835657e-09 ] [ 2.126787102548087e-09 1.081433018758072e-09 -1.296741685935825e-09 ] [ -1.674746423548713e-09 -2.182261987847347e-09 1.238909678372625e-09 ] [ 9.793170092487746e-10 1.101283506600342e-09 7.598655939484873e-10 ] [ -7.975026456931081e-10 1.622865220439516e-09 -9.393340504766508e-10 ] [ 3.999656926262943e-09 3.182912459630822e-09 -2.180656126207089e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -325.42921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.213950762830791e-17 } }