{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 122.9295125 100.2496442 -81.7059787 ] [ -10.1471946 17.1424828 29.6684768 ] [ 176.564832 178.1825867 -190.7127408 ] [ -220.6144544 177.7589413 -160.1820729 ] [ -16.356234 -24.158744 12.0086959 ] [ -139.901856 -135.1934819 156.463231 ] [ 206.6019641 -169.3986068 141.5997954 ] [ -119.0765697 -144.5828223 92.8605934 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.969547909338414e-07 1.606176361807583e-07 -1.309074088527228e-07 ] [ -1.625759795482801e-08 2.746528516462612e-08 4.75341399037072e-08 ] [ 2.828880458858797e-07 2.854799746444091e-07 -3.055554945984503e-07 ] [ -3.534633210502277e-07 2.848012198890196e-07 -2.566399722716613e-07 ] [ -2.620557571913407e-08 -3.870657482469227e-08 1.924005181727681e-08 ] [ -2.241474828897282e-07 -2.16603835984728e-07 2.506817307230299e-07 ] [ 3.310128366923809e-07 -2.714064874110519e-07 2.268678816999434e-07 ] [ -1.907816960584017e-07 -2.316472176583409e-07 1.487790717390948e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 93.575395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.499243101511252e-17 } }