{ "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" [ [ 3.8969556 4.9296291 3.2967517 ] [ 1.0021893 1.5874124 -10.8148427 ] [ -1.1499833 0.1901646 -0.8254481 ] [ 14.0678335 19.3937842 -12.2812679 ] [ -10.6068246 -14.4175131 15.0547916 ] [ -1.8694816 -3.4412375 -2.1068042 ] [ -6.5100386 -8.8499694 5.8851644 ] [ 1.1693497 0.6077296 1.7916552 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.24361120605545e-09 7.898136558306447e-09 5.281978541839777e-09 ] [ 1.605684279304816e-09 2.543315055801861e-09 -1.732728827432547e-08 ] [ -1.842476372750212e-09 3.046772787339563e-10 -1.322513658399695e-09 ] [ 2.253915412470244e-08 3.107226789007838e-08 -1.967676046527425e-08 ] [ -1.699400653505639e-08 -2.309940260920891e-08 2.412043533125947e-08 ] [ -2.995239737212934e-09 -5.513470314544574e-09 -3.375472461653062e-09 ] [ -1.043023173135807e-08 -1.4179214184295e-08 9.429072888928629e-09 ] [ 1.87350476631491e-09 9.736901649101663e-10 2.870548097624596e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 10.35601839843752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.65921706992507e-18 } }