{ "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" [ [ -3.3058165 -4.9725092 -1.4803736 ] [ 1.307011 -0.0563354 5.5301604 ] [ -0.2465845 -1.4069525 -0.5562059 ] [ -4.026424 -8.6290915 4.2614989 ] [ 2.3679472 6.0741436 -6.8184458 ] [ 2.2652215 4.6448793 1.7503435 ] [ 3.2184702 4.9415079 -1.6293176 ] [ -1.5798247 -0.5956421 -1.0576598 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.296501908954884e-09 -7.966837986952912e-09 -2.371819971969531e-09 ] [ 2.094062467328429e-09 -9.025926080341633e-11 8.860293702153976e-09 ] [ -3.950719209516577e-10 -2.254186402076112e-09 -8.911400893310228e-10 ] [ -6.451042398228019e-09 -1.3825328660044e-08 6.827673907144918e-09 ] [ 3.793869643128822e-09 9.731850867301947e-09 -1.092435445095195e-08 ] [ 3.629284928233507e-09 7.44191702089787e-09 2.804359434069245e-09 ] [ 5.156557709181501e-09 7.917168428878504e-09 -2.610454566577966e-09 ] [ -2.531158199302374e-09 -9.543238469842156e-10 -1.694557804320004e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 149.54846 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.39603046288644e-17 } }