{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] "source-value" [ 5.05932 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] "source-value" [ 0.224512 5.44129 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] "source-value" [ 0.327401 0.688972 5.24092 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.96954792055365e-07 1.60617637302282e-07 -1.309074091731581e-07 ] [ -1.625759795482801e-08 2.746528516462612e-08 4.75341399037072e-08 ] [ 2.82888049090233e-07 2.854799781691976e-07 -3.055554989243272e-07 ] [ -3.534633548561544e-07 2.848012520927696e-07 -2.566399921386514e-07 ] [ -2.620557571913407e-08 -3.870657482469227e-08 1.924005181727681e-08 ] [ -2.241474860940814e-07 -2.166038395095165e-07 2.50681734888689e-07 ] [ 3.310128704983076e-07 -2.71406519614802e-07 2.268679014067158e-07 ] [ -1.907816971799253e-07 -2.316472187798645e-07 1.487790720595301e-07 ] ] "source-value" [ [ 122.9295132 100.2496449 -81.7059789 ] [ -10.1471946 17.1424828 29.6684768 ] [ 176.564834 178.1825889 -190.7127435 ] [ -220.6144755 177.7589614 -160.1820853 ] [ -16.356234 -24.158744 12.0086959 ] [ -139.901858 -135.1934841 156.4632336 ] [ 206.6019852 -169.3986269 141.5998077 ] [ -119.0765704 -144.582823 92.8605936 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.499243133554785e-17 "source-value" 93.575397 } }