{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8820896000000005 0.07638530000000002 0.8725597000000003 ] [ -0.9794394000000002 -0.6491103000000001 -0.40747280000000013 ] [ 0.8630836000000002 0.7211453000000001 -0.5015988000000001 ] [ -2.4802280000000003 -0.8864237000000003 0.8459465000000003 ] [ 2.2791676000000005 1.1733205000000002 -1.1689395000000002 ] [ -1.5299356000000004 0.45622430000000014 -1.1240060000000003 ] [ -0.06852160000000002 -0.8218022000000003 -0.18647310000000003 ] [ -0.9662161000000002 -0.06973940000000001 1.6699841000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.617616576170825e-09 1.223827418327943e-10 1.397994751592262e-09 ] [ -1.56923490817038e-09 -1.039989346980475e-09 -6.528433937719144e-10 ] [ 1.382812365715899e-09 1.155402139859802e-09 -8.036498703813353e-10 ] [ -3.973763315853543e-09 -1.420207328263033e-09 1.355355704747588e-09 ] [ 3.651629043604847e-09 1.879866673805367e-09 -1.872847538029642e-09 ] [ -2.451227049649621e-09 7.309519073008457e-10 -1.800856134838925e-09 ] [ -1.097837055398093e-10 -1.316672271762006e-09 -2.987628412281005e-10 ] [ -1.548048846060555e-09 -1.117348362286195e-10 2.67560948212773e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.932636240654233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.712907391328702e-18 } }