{ "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" [ [ -4.3223594 -2.5441111 -11.5191195 ] [ -2.8375869 -0.2247932 16.7678527 ] [ -0.2346528 0.4558567 5.2338747 ] [ -22.4415492 -38.0538254 23.4556524 ] [ 8.8846164 31.555787 -22.6759867 ] [ 8.7645402 4.1206853 3.4981979 ] [ 6.6890024 10.6535459 -11.3101627 ] [ 5.4979893 -5.9631453 -3.4503088 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.925183177375116e-09 -4.076115325137771e-09 -1.845566395510139e-08 ] [ -4.546315390668347e-09 -3.601584095548186e-10 2.686506157695816e-08 ] [ -3.759552301652582e-10 7.303629471750394e-10 8.385591680536614e-09 ] [ -3.595532546277294e-08 -6.096894938788521e-08 3.758009790089142e-08 ] [ 1.423472468085626e-08 5.055794418234457e-08 -3.633093574431175e-08 ] [ 1.404234140050176e-08 6.602065649334233e-09 5.604730890311657e-09 ] [ 1.071696326175509e-08 1.706886216959969e-08 -1.81208782553842e-08 ] [ 8.808749917868558e-09 -9.554011986093401e-09 -5.528004093900503e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.4506977 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.926450559588333e-19 } }