{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5870279 -0.2042495 -3.3613199 ] [ 2.6940596 0.9050532 2.7374756 ] [ 0.4574498 0.7175339 -1.802431 ] [ -1.2417504 -1.359072 0.3171144 ] [ 0.0098029 2.7572128 -1.3615636 ] [ -0.5880617 -1.3312895 3.1599111 ] [ -0.3354067 -0.7100925 -2.3251386 ] [ 0.5909343 -0.7750963 2.6359518 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.54269899793732e-09 -3.272437737100896e-10 -5.385428158809794e-09 ] [ 4.3163593061618e-09 1.450055077620227e-09 4.385919406330452e-09 ] [ 7.32915374749636e-10 1.149616039211445e-09 -2.887812808805165e-09 ] [ -1.989503459749048e-09 -2.177473384383898e-09 5.080732777990195e-10 ] [ 1.570597719604032e-11 4.417541886730507e-09 -2.181465367652283e-09 ] [ -9.421787073279034e-10 -2.132960912416521e-09 5.062735688226411e-09 ] [ -5.373807731996793e-10 -1.137693602105424e-09 -3.725282705039643e-09 ] [ 9.467811198888134e-10 -1.241841170728583e-09 4.223260347515677e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.510425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.368961948807184e-18 } }