{ "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" [ [ -3.17840486970251e-09 -2.723764823077818e-09 -3.354845531374082e-09 ] [ -1.626952519846389e-09 8.01406662894553e-10 8.435298569326285e-09 ] [ 1.178168749206046e-09 -4.61408922412247e-10 3.318368455813004e-09 ] [ -6.026916766652437e-09 -6.460012504474892e-09 3.491835477676372e-09 ] [ 1.371397498163347e-09 1.069471159197477e-09 -7.366489429508523e-09 ] [ 1.768753482105617e-09 4.370890028321376e-09 1.632066988055307e-09 ] [ 7.764732859081054e-09 4.737804656468447e-09 -2.959652646087554e-09 ] [ -1.250778592572392e-09 -1.334386256916895e-09 -3.196582044118472e-09 ] ] "source-value" [ [ -1.9838043 -1.7000403 -2.0939299 ] [ -1.0154639 0.5001987 5.2648993 ] [ 0.7353551 -0.2879888 2.0711627 ] [ -3.7617056 -4.0320227 2.1794323 ] [ 0.855959 0.6675114 -4.5978011 ] [ 1.1039691 2.728095 1.0186561 ] [ 4.8463651 2.9571051 -1.8472699 ] [ -0.7806746 -0.8328584 -1.9951496 ] ] } "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" -4.596025964464247e-18 "source-value" -28.686138 } }