{ "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" [ [ -1.0089645 -1.2958849 -2.1683202 ] [ -1.8794531 -0.8542455 6.3593336 ] [ 1.5529515 -0.4610529 1.8583261 ] [ -8.5631165 -10.5743869 7.0306381 ] [ 6.7728285 7.7984985 -8.7729426 ] [ 0.0918096 1.1212573 0.614854 ] [ 4.256492 4.2770449 -3.2612955 ] [ -1.2225475 -0.0112306 -1.6605935 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.616539333117162e-09 -2.076236490027746e-09 -3.47403193084838e-09 ] [ -3.011215816710085e-09 -1.368652168523606e-09 1.01887756177879e-08 ] [ 2.488102586536291e-09 -7.386881773320403e-10 2.977366631242443e-09 ] [ -1.371962505748672e-08 -1.694203547047379e-08 1.126432399312573e-08 ] [ 1.085126747938793e-08 1.249457197404387e-08 -1.405580352934037e-08 ] [ 1.470951946849997e-10 1.796452231961332e-09 9.851047040053633e-10 ] [ 6.819651969022233e-09 6.852581344891874e-09 -5.225171403620247e-09 ] [ -1.958737022317488e-09 -1.799340475755648e-11 -2.660564082352445e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.537445 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.572202719636586e-18 } }