{ "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" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1145236 0.1246442 -1.5534996 ] [ -2.7856051 -1.3194301 2.1352215 ] [ 0.5368751 1.0956585 -1.7495388 ] [ -1.7077976 2.0762746 -1.9614364 ] [ 0.3005075 -0.8475543 2.1097626 ] [ -0.602378 -0.9784682 1.697758 ] [ 3.9121987 0.8709885 -1.2388527 ] [ 0.2316757 -1.0221132 0.5605855 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.834870344498509e-10 1.997020231583194e-10 -2.488980739542152e-09 ] [ -4.463031366001247e-09 -2.113960058999806e-09 3.421001967529508e-09 ] [ 8.601687335096623e-10 1.755438433080797e-09 -2.803070162542487e-09 ] [ -2.73619338777835e-09 3.326558622480872e-09 -3.142567543266117e-09 ] [ 4.81466090875056e-10 -1.357931684318509e-09 3.380212313158222e-09 ] [ -9.651159484842623e-10 -1.567678874236259e-09 2.720108175376166e-09 ] [ 6.268033293064153e-09 1.395477411685661e-09 -1.984860832554956e-09 ] [ 3.711853901474746e-10 -1.637605872851075e-09 8.981569820594783e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.02839 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.291731428066452e-18 } }