{ "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" [ [ -0.0226783 -0.0724433 -0.3064193 ] [ -0.3858609 -0.0719729 0.1622054 ] [ 0.1060441 0.1058447 -0.0874639 ] [ -0.0767528 0.3986579 -0.2186649 ] [ -0.1081131 -0.1205507 0.3095016 ] [ -0.1771348 -0.0518604 0.2348926 ] [ 0.4331018 0.0024427 -0.1239805 ] [ 0.231394 -0.190118 0.029929 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.633464205948864e-11 -1.160669615936006e-10 -4.909378386219014e-10 ] [ -6.182173128608468e-10 -1.153132977111763e-10 2.598816996475123e-10 ] [ 1.699013777937773e-10 1.695819037755898e-10 -1.401326157439891e-10 ] [ -1.229715417409382e-10 6.387203670772242e-10 -3.503397905695699e-10 ] [ -1.732162812222125e-10 -1.931435131610746e-10 4.958762276201932e-10 ] [ -2.838012352900839e-10 -8.308952042533632e-11 3.763394321189261e-10 ] [ 6.939055783863975e-10 3.91363683162816e-12 -1.986386585350944e-10 ] [ 3.707340569933952e-10 -3.046026147932544e-10 4.79515440839232e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 28.893066 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.629179484843138e-18 } }