{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.3532433e-10 -6.95632e-11 -3.322621e-11 ] [ 6.050953e-11 2.781307e-11 6.9145859e-10 ] [ 1.269922e-10 6.3456339e-10 -2.4832517e-10 ] [ -1.2674931e-10 6.9279935e-10 4.3902364e-10 ] [ 7.370656000000001e-10 -3.659515e-11 4.1155164e-10 ] [ 8.304967e-10 4.7273859e-10 -1.1005551e-10 ] [ 5.5725625e-10 6.167252600000001e-10 6.970431300000001e-10 ] ] "source-value" [ [ 1.3532433 -0.695632 -0.3322621 ] [ 0.6050953 0.2781307 6.9145859 ] [ 1.269922 6.3456339 -2.4832517 ] [ -1.2674931 6.9279935 4.3902364 ] [ 7.370656 -0.3659515 4.1155164 ] [ 8.304967 4.7273859 -1.1005551 ] [ 5.5725625 6.1672526 6.9704313 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 0.0 0.0 0.0 ] [ -4.8065298624e-16 0.0 1.6021766208e-16 ] [ -4.8065298624e-16 1.6021766208e-16 -4.8065298624e-16 ] [ -1.6021766208e-16 0.0 3.2043532416e-16 ] [ 3.2043532416e-16 -4.8065298624e-16 3.2043532416e-16 ] [ 6.408706483200001e-16 3.2043532416e-16 -3.2043532416e-16 ] [ 0.0 0.0 0.0 ] ] "source-value" [ [ 0.0 0.0 0.0 ] [ -3e-07 0.0 1e-07 ] [ -3e-07 1e-07 -3e-07 ] [ -1e-07 0.0 2e-07 ] [ 2e-07 -3e-07 2e-07 ] [ 4e-07 2e-07 -2e-07 ] [ 0.0 -0.0 0.0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.779208264920822e-31 "source-value" 2.9829472e-12 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -6.20047975889539e-09 -1.087153613516469e-08 -7.493250118957654e-09 ] [ -6.526463420693221e-09 -8.379653212891618e-09 9.704161410070635e-09 ] [ -3.79277487584383e-09 7.260878432759925e-09 -1.118388415239588e-08 ] [ -9.093197791642795e-09 9.24404063766151e-09 2.89169151818646e-09 ] [ 1.100308925532196e-08 -6.575701192168322e-09 3.650501111263802e-09 ] [ 9.538456773717377e-09 2.834459526244214e-09 -8.081151846888033e-09 ] [ 5.071369978253564e-09 6.487511943558979e-09 1.051193223893833e-08 ] ] "source-value" [ [ -3.8700351 -6.7854792 -4.6769189 ] [ -4.0734981 -5.2301682 6.0568612 ] [ -2.3672639 4.5318839 -6.9804315 ] [ -5.6755277 5.7696764 1.8048519 ] [ 6.8675882 -4.1042299 2.2784636 ] [ 5.9534365 1.7691305 -5.0438583 ] [ 3.1653002 4.0491865 6.5610321 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 8.525743842835377e-18 "source-value" 53.213508 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] "source-value" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] } "instance-id" 1 }