{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3724432 -4.1925289 -9.2716375 ] [ 1.3346874 -5.7856309 5.4947895 ] [ -1.4581612 4.734813 -1.7364085 ] [ -8.7699659 2.6988176 1.0657261 ] [ 7.5209965 2.5445291 4.4475304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.198896408415938e-09 -6.717171785608341e-09 -1.485480083903256e-08 ] [ 2.138404948356338e-09 -9.269602564558062e-09 8.803623273117323e-09 ] [ -2.336231783997673e-09 7.586006692459911e-09 -2.782033102858397e-09 ] [ -1.405103433019323e-08 4.323982462523565e-09 1.707481441596363e-09 ] [ 1.204996475741863e-08 4.076785034965266e-09 7.125729227177271e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.24272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.399763413400577e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6565857 2.0257479 0.7214333 ] [ 0.9678851 1.7657669 4.6420181 ] [ 0.6793678 5.2900418 2.7956355 ] [ 1.8893296 3.1691566 2.867541 ] [ 4.2534794 3.5950698 3.3110771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6565857e-10 2.0257479e-10 7.214333e-11 ] [ 9.678851000000001e-11 1.7657669e-10 4.6420181e-10 ] [ 6.793678e-11 5.2900418e-10 2.7956355e-10 ] [ 1.8893296e-10 3.1691566e-10 2.867541e-10 ] [ 4.2534794e-10 3.5950698e-10 3.3110771e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -1e-07 -1e-07 ] [ 0.0 1e-07 -1e-07 ] [ 5e-07 -9e-07 0.0 ] [ -1.8e-06 7e-07 -0.0 ] [ 1.2e-06 2e-07 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -1.6021766208e-16 -1.6021766208e-16 ] [ 0.0 1.6021766208e-16 -1.6021766208e-16 ] [ 8.010883104e-16 -1.44195895872e-15 0.0 ] [ -2.88391791744e-15 1.12152363456e-15 0.0 ] [ 1.92261194496e-15 3.2043532416e-16 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.268874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.965690308634098e-18 } }