{ "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" [ [ -10.7331576 -14.0895616 -13.573095 ] [ -4.7783024 -12.2891511 38.5191449 ] [ 5.1638259 -3.7243871 3.9230537 ] [ -74.0376276 -108.063483 72.9609565 ] [ 64.3536983 101.9304038 -81.7416145 ] [ 4.5105132 5.9636958 5.54028 ] [ 20.5401798 26.8873996 -22.8208226 ] [ -5.0191296 3.3850837 -2.807903 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.719641431575952e-08 -2.257396637882365e-08 -2.174649566006223e-08 ] [ -7.65568445546612e-09 -1.968939074411539e-08 6.171447392044026e-08 ] [ 8.27336119902402e-09 -5.967125987591021e-09 6.285424972067245e-09 ] [ -1.186213569775135e-07 -1.731367874512562e-07 1.168963396985904e-07 ] [ 1.031059917277455e-07 1.633105112625448e-07 -1.309645047773356e-07 ] [ 7.226638856388569e-09 9.554894063043937e-09 8.87650716181752e-09 ] [ 3.290899613371879e-08 4.307836338814094e-08 -3.656298873837912e-08 ] [ -8.041532168137765e-09 5.423502008274265e-09 -4.498756577138501e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 10.368646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.661240234741756e-18 } }