{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2791732 -3.627925 -2.5123233 ] [ 0.062461 -1.0187712 9.4083082 ] [ 0.9476671 -0.5583418 1.6076209 ] [ -10.8267906 -17.3389667 11.1606948 ] [ 8.7494046 14.8235591 -14.8172195 ] [ 1.0422133 2.1129497 0.9079374 ] [ 4.5042387 6.0964338 -3.9490496 ] [ -1.200021 -0.4889379 -1.8059688 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.253814679879008e-09 -5.812576664904449e-09 -4.025185688313772e-09 ] [ 1.00073554736274e-10 -1.632251412032141e-09 1.50737715635106e-08 ] [ 1.518330084430541e-09 -8.94562185745501e-10 2.57569264231005e-09 ] [ -1.734643092053084e-08 -2.778008730444409e-08 1.78814044277653e-08 ] [ 1.401809161153211e-08 2.374996002273807e-08 -2.373980286374916e-08 ] [ 1.669809796904032e-09 3.385318638157309e-09 1.454676087414711e-09 ] [ 7.216585999098535e-09 9.767563785087828e-09 -6.327074995627046e-09 ] [ -1.922645606509314e-09 -7.833648788570285e-10 -2.893481013093019e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.469030074190162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.478411853551076e-18 } }