{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.7152898 118.5426613 50.575385 ] [ 26.0587539 -136.5752709 -47.4938951 ] [ -0.6526883 0.1698065 -0.3413921 ] [ 10.666037 16.072568 -7.9194618 ] [ 0.6431872 1.7902352 5.179364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.882437942809853e-08 1.899262820670361e-07 8.103070010255408e-08 ] [ 4.175072660973637e-08 -2.188177078182001e-07 -7.609360898686709e-08 ] [ -1.045721943545182e-09 2.72060006601321e-10 -5.469704456521913e-10 ] [ 1.708887525877946e-08 2.575109289797611e-08 -1.268837664981558e-08 ] [ 1.030499503127885e-09 2.868273006804316e-09 8.298255979780774e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.1213310463688497 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.398747035470941e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8899539 0.5310738 0.5383823 ] [ 0.1082282 1.0987105 0.8935971 ] [ 0.7486204 0.5390388 2.7179271 ] [ 1.4814984 2.6498074 0.130437 ] [ 0.428147 2.5159703 1.8887761 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.899539e-11 5.310738e-11 5.383823e-11 ] [ 1.082282e-11 1.0987105e-10 8.935971e-11 ] [ 7.486204e-11 5.390388000000001e-11 2.7179271e-10 ] [ 1.4814984e-10 2.6498074e-10 1.30437e-11 ] [ 4.28147e-11 2.5159703e-10 1.8887761e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4756.8047252 3731.5816016 2204.4646135 ] [ 5056.3203041 -1859.2189173 -1416.9426593 ] [ -28.9433732 -86.2940688 471.1537714 ] [ -144.8626897 21.8942557 -0.0008611 ] [ -125.7095159 -1807.9628712 -1258.6748645 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.62124138321623e-06 5.978652849947816e-06 3.53194169422954e-06 ] [ 8.101118245248793e-06 -2.978797106788838e-06 -2.270192420448283e-06 ] [ -4.63723962501818e-08 -1.382583406841484e-07 7.548715635580573e-07 ] [ -2.320956165757324e-07 3.50784649013613e-08 -1.3796342995374e-12 ] [ -2.014088490464315e-07 -2.896675867376191e-06 -2.016619457705016e-06 ] ] } "relaxed-potential-energy" { "source-value" -2762.354595046369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.425779987005825e-16 } }