{ "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" [ [ 0.8178862 -0.0159457 -1.9298866 ] [ -4.3505338 -2.398487 3.5717734 ] [ 1.6374109 1.6183776 -2.8676881 ] [ -2.7448178 3.5366253 -2.8506198 ] [ -0.0870293 -0.9639301 2.8655519 ] [ -1.6475053 -1.6049111 2.8642357 ] [ 6.2471143 1.5791675 -1.8512523 ] [ 0.1274747 -1.7508965 0.1978857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.310398158911051e-09 -2.554782795277379e-11 -3.092019216789704e-09 ] [ -6.970323599787229e-09 -3.842799828352757e-09 5.722611883422734e-09 ] [ 2.623421484236911e-09 2.592926775708998e-09 -4.594542867419855e-09 ] [ -4.397682943747284e-09 5.66629841887324e-09 -4.567196435977754e-09 ] [ -1.394363109333762e-10 -1.544386283029283e-09 4.591120297694303e-09 ] [ -2.63959449605116e-09 -2.571351064067237e-09 4.589011512808633e-09 ] [ 1.000898056138726e-08 2.530105269672195e-09 -2.966033178698758e-09 ] [ 2.042369857661598e-10 -2.805245460852381e-09 3.170478447427338e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.789094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.573827352482959e-18 } }