{ "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" [ [ 0.4980912 -0.2540805 -1.7192039 ] [ -2.8041677 -0.796054 2.0143088 ] [ 0.8892811 0.6615452 -1.6795299 ] [ -1.5445468 2.207036 -1.1310555 ] [ 0.1633125 -0.7141323 1.569499 ] [ -0.9145313 -0.7319584 1.6210332 ] [ 3.4455944 0.627432 -1.1917676 ] [ 0.2669666 -0.9997878 0.5167159 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.980300822410208e-10 -4.07081840255037e-10 -2.754468317661672e-09 ] [ -4.492771966757521e-09 -1.275419118202236e-09 3.227278493020578e-09 ] [ 1.424785399477817e-09 1.059912261774857e-09 -2.690903561884356e-09 ] [ -2.474636793079471e-09 3.536061509596824e-09 -1.812150693857187e-09 ] [ 2.61655471540125e-10 -1.144166084644678e-09 2.514614624886365e-09 ] [ -1.465240679921644e-09 -1.172726645540025e-09 2.597181515978249e-09 ] [ 5.52045083792125e-09 1.005256889823888e-09 -1.909422201878258e-09 ] [ 4.277276485784244e-10 -1.601836652118265e-09 8.278701413962805e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.53445 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.693246549204129e-18 } }