{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4998536 -1.5724051 -2.3337548 ] [ 0.2542218 0.3460877 5.0954503 ] [ 0.2348446 -3.1642502 -5.0099412 ] [ -1.6623464 -0.9371664 8.5443475 ] [ 1.8356826 -0.0573116 -8.4191489 ] [ 0.0005676 1.3633437 6.8608261 ] [ 1.0923861 1.3033619 -3.6900684 ] [ -1.2555027 2.7183399 -1.0477106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.008537583407824e-10 -2.519270710402433e-09 -3.739087410045343e-09 ] [ 4.073082278134211e-10 5.544936262548017e-10 8.16381141036829e-09 ] [ 3.762625307410763e-10 -5.069687734569827e-09 -8.02681072835392e-09 ] [ -2.663372559694017e-09 -1.501506108249897e-09 1.368955391727631e-08 ] [ 2.941087769160368e-09 -9.182330637715439e-11 -1.34889636457468e-08 ] [ 9.093954574583999e-13 2.184317420251106e-09 1.099225526735735e-08 ] [ 1.750195484726387e-09 2.088215981825844e-09 -5.912141368341765e-09 ] [ -2.011537089863912e-09 4.355260671049897e-09 -1.67861744251412e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.362059 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.38388515879294e-18 } }