{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] "source-value" [ 5.4419 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] "source-value" [ 0.361794 5.44502 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] "source-value" [ 0.0366443 0.298499 5.53333 ] } "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" [ [ 6.382206161456644e-09 -4.40915689538555e-09 1.263935314503545e-08 ] [ -2.173010681624321e-09 -1.75974989036737e-09 1.436168532194767e-09 ] [ 3.304586212085559e-09 -1.120911090394336e-08 -3.350990373989113e-09 ] [ 1.096742496396061e-08 -3.081310563217099e-09 2.987351556160931e-09 ] [ -5.120097136039617e-09 6.840821528712864e-09 1.841004277691242e-09 ] [ -1.26578286447382e-08 1.235167720580562e-08 -5.748823766226939e-09 ] [ -8.049160705647534e-10 -1.44056939093678e-09 -3.050164570144071e-09 ] [ 1.016350352464205e-10 2.707398588896346e-09 -6.753898800722265e-09 ] ] "source-value" [ [ 3.9834597999999994 -2.7519792999999995 7.888863799999999 ] [ -1.3562865999999998 -1.0983494999999999 0.8963858999999998 ] [ 2.0625604999999996 -6.996176799999999 -2.0915236999999998 ] [ 6.845328299999999 -1.9232027999999999 1.8645581999999998 ] [ -3.1957132999999995 4.269704999999999 1.1490644999999997 ] [ -7.900395299999999 7.709310599999999 -3.5881335999999995 ] [ -0.5023890999999999 -0.8991326999999999 -1.9037629999999999 ] [ 0.06343559999999998 1.6898252999999999 -4.215452099999999 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.130957009610723e-18 "source-value" -32.024915 } }