{ "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" [ [ -7.0443748 -3.5187923 -0.0416422 ] [ -0.1962489 -1.5164409 2.5796671 ] [ 3.5425514 -3.663002 -0.0611914 ] [ 0.2841896 0.2331434 5.7464427 ] [ -0.7019976 1.2146843 -3.3922698 ] [ 0.1907016 1.4767144 2.9141566 ] [ 3.4959268 1.2766377 -4.8530684 ] [ 0.4292519 4.4970554 -2.8920947 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.128633261271268e-08 -5.63772675651106e-09 -6.671815927867776e-11 ] [ -3.144253994377172e-10 -2.429606156804911e-09 4.133082317066936e-09 ] [ 5.675793031062309e-09 -5.868776166343641e-09 -9.803943047402112e-11 ] [ 4.553219329945037e-10 3.735369047738227e-10 9.20681614670683e-09 ] [ -1.12472414257771e-09 1.946138787112814e-09 -5.435015365005891e-09 ] [ 3.055376450691532e-10 2.3659572872787e-09 4.668993573870017e-09 ] [ 5.601092186988157e-09 2.045399076171884e-09 -7.775472729623262e-09 ] [ 6.877373586139795e-10 7.205077024322392e-09 -4.63364651347959e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -209.99423 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.36447845808898e-17 } }