{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.712316 -2.1167399 1.6070645 ] [ -0.5117472 2.3937318 -0.0355666 ] [ 0.2637999 -0.5429343 -0.242688 ] [ 0.7377245 -0.5250833 -3.2370651 ] [ 1.2225388 0.7910256 1.9082553 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.743432685224344e-09 -3.391391208035496e-09 2.574801191230892e-09 ] [ -8.199094063549246e-10 3.83518115802276e-09 -5.698397547082439e-11 ] [ 4.226540358315366e-10 -8.698766492571461e-10 -3.888290429521919e-10 ] [ 1.181964956229333e-09 -8.412761941636122e-10 -5.186350065956873e-09 ] [ 1.958723099518399e-09 1.26736273321583e-09 3.05736205336666e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.378015 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.983176640830151e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7207451 0.8172624 1.9643116 ] [ 2.3768971 3.1049782 1.7119814 ] [ 2.8493869 1.9499993 3.7541923 ] [ 3.5064495 1.3993002 0.4699581 ] [ 4.6350913 2.5320368 2.2598388 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7207451e-10 8.172624000000001e-11 1.9643116e-10 ] [ 2.3768971e-10 3.1049782e-10 1.7119814e-10 ] [ 2.8493869e-10 1.9499993e-10 3.7541923e-10 ] [ 3.5064495e-10 1.3993002e-10 4.699581e-11 ] [ 4.6350913e-10 2.5320368e-10 2.2598388e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 1.1e-06 -1.4e-06 ] [ 2e-07 7e-07 0.0 ] [ 1.4e-06 6e-07 1.3e-06 ] [ -1.2e-06 -1.8e-06 -1.4e-06 ] [ -2.9e-06 -5e-07 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.165659248399999e-15 1.7623942974e-15 -2.2430472876e-15 ] [ 3.204353268e-16 1.1215236438e-15 0.0 ] [ 2.2430472876e-15 9.613059803999998e-16 2.0828296242e-15 ] [ -1.9226119608e-15 -2.8839179412e-15 -2.2430472876e-15 ] [ -4.6463122386e-15 -8.010883169999999e-16 2.403264951e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13731965152234e-18 } }