{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.5903622 17.1663436 20.2667203 ] [ -45.2494748 -39.9493534 18.0309675 ] [ -15.4019982 -20.4243909 -20.0082361 ] [ 29.3146023 2.1165709 5.35498 ] [ 0.6312183 -0.9578442 -4.1711841 ] [ 1.8775718 3.5720547 2.4253258 ] [ 43.0656342 40.3479737 -17.0710339 ] [ -0.6471914 -1.8713544 -4.8275395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.177416058504405e-08 2.750351438053971e-08 3.247086544495276e-08 ] [ -7.249765062803875e-08 -6.4005920033557e-08 2.888879457890462e-08 ] [ -2.467672142964368e-08 -3.272348159406027e-08 -3.205672810286657e-08 ] [ 4.696717045310991e-08 3.391120412245615e-09 8.579623760851585e-09 ] [ 1.011323202881121e-09 -1.534635583608879e-09 -6.682973646072689e-09 ] [ 3.008201641833373e-09 5.723062528558758e-09 3.885800294583056e-09 ] [ 6.899875227516491e-08 6.464458015879327e-08 -2.735081140746425e-08 ] [ -1.036914930262821e-09 -2.998240268911211e-09 -7.734570922888523e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.216837 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.438006048392441e-18 } }