{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] "source-value" [ 5.47435 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] "source-value" [ -0.716605 5.34737 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] "source-value" [ -0.276149 -0.165536 5.69815 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.129800430917754e-08 2.466083873236637e-09 -8.971047205202355e-09 ] [ -2.671164883963968e-10 -2.859236226378914e-09 7.544236666214358e-09 ] [ -1.452410133056907e-08 1.674416761911096e-08 -6.001478848226333e-09 ] [ -1.835490114480733e-08 -2.795368515548068e-08 1.672182718874585e-08 ] [ 1.597725998452145e-08 2.574837058773947e-08 -1.718142565157659e-08 ] [ 9.45081466842404e-09 -4.877648720203029e-09 6.712551588886941e-09 ] [ 4.491947129218121e-09 7.476115641086508e-09 -4.826142587068199e-09 ] [ 1.452410133056907e-08 -1.674416761911096e-08 6.001478848226333e-09 ] ] "source-value" [ [ -7.0516597 1.5392085 -5.5992873 ] [ -0.166721 -1.7845949 4.7087422 ] [ -9.0652311 10.4508875 -3.7458285 ] [ -11.4562283 -17.4473181 10.4369437 ] [ 9.9722214 16.070869 -10.7238025 ] [ 5.8987346 -3.0443889 4.1896452 ] [ 2.8036529 4.6662244 -3.0122413 ] [ 9.0652311 -10.4508875 3.7458285 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.109172967686772e-18 "source-value" -6.9229132 } }