{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1645704 1.0042149 -0.9035784 ] [ -0.31416 0.0941912 -0.1903589 ] [ -0.5250053 -0.4698247 -1.4041177 ] [ -0.2350167 1.2878253 1.5809033 ] [ 0.5039847 -0.9301668 0.4618946 ] [ 0.3744387 -0.6638251 -0.5633268 ] [ -0.3510513 0.0322215 -0.5462564 ] [ -0.6177604 -0.3546364 1.5648402 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.865847468155704e-09 1.60892963503901e-09 -1.447692187539871e-09 ] [ -5.03339807190528e-10 1.50910938525097e-10 -3.049885791412051e-10 ] [ -8.411512174560902e-10 -7.527421502143738e-10 -2.249644551791468e-09 ] [ -3.765382622375673e-10 2.063323587334746e-09 2.532886307005568e-09 ] [ 8.074725035809017e-10 -1.49029150040435e-09 7.400367293937677e-10 ] [ 5.99916931062745e-10 -1.063565055520222e-09 -9.025490288300775e-10 ] [ -5.624461855614471e-10 5.16245339871072e-11 -8.751992330423731e-10 ] [ -9.897612701360563e-10 -5.681901489646772e-10 2.507150383727996e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.302194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.816252651054604e-18 } }