{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9760646 -0.280439 0.0950864 ] [ 2.0764424 -2.2381666 5.1825982 ] [ 4.1901503 3.417892 -3.0143907 ] [ -4.1190525 -0.7086028 0.3829492 ] [ -4.6533251 -3.8040926 -1.8855181 ] [ -0.6217928 1.8807776 1.3964542 ] [ 1.1515132 1.7326314 -2.1571793 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.166004503310504e-09 -4.493128093605312e-10 1.523452070360371e-10 ] [ 3.326827467717842e-09 -3.585938199975426e-09 8.303437671040162e-09 ] [ 6.713360848298107e-09 5.476066654819354e-09 -4.829586305496947e-09 ] [ -6.599449615347791e-09 -1.135306839593418e-09 6.135522551940634e-10 ] [ -7.455448684201822e-09 -6.094828227078286e-09 -3.020933017915236e-09 ] [ -9.962218871417703e-10 3.013337899644334e-09 2.237366271257967e-09 ] [ 1.844927527582595e-09 2.775981521543973e-09 -3.45618224133371e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5559958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.370821643842299e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7310128 0.9294706 0.4555975 ] [ 2.2031147 3.4070802 4.0056321 ] [ 3.2486019 3.7487511 2.0899069 ] [ 4.3378544 1.8814407 1.6210042 ] [ 2.9229386 1.950728 5.4923053 ] [ 4.4885905 0.4294833 5.1618456 ] [ 5.3715711 0.6684107 3.1582184 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7310128e-10 9.294706000000001e-11 4.555975e-11 ] [ 2.2031147e-10 3.4070802e-10 4.0056321e-10 ] [ 3.2486019e-10 3.7487511e-10 2.0899069e-10 ] [ 4.337854400000001e-10 1.8814407e-10 1.6210042e-10 ] [ 2.9229386e-10 1.950728e-10 5.492305300000001e-10 ] [ 4.4885905e-10 4.294833e-11 5.1618456e-10 ] [ 5.3715711e-10 6.684107000000001e-11 3.1582184e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3965917 -0.5158652 -0.7536499 ] [ 0.1288059 0.4967796 -0.2989634 ] [ -0.2822749 0.2635143 0.6530807 ] [ 0.801757 -0.5160049 0.5043233 ] [ 0.1212692 -0.4584569 0.3282711 ] [ -0.317534 0.3409608 0.3723623 ] [ -0.0554315 0.3890723 -0.8054242 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.354099497433273e-10 -8.265071629243161e-10 -1.207480250048258e-09 ] [ 2.063698016011027e-10 7.959286608103757e-10 -4.789921699548787e-10 ] [ -4.522542454186579e-10 4.221964507064774e-10 1.046350629035698e-09 ] [ 1.284556320962746e-09 -8.26730986998242e-10 8.080150005847047e-10 ] [ 1.942946770631193e-10 -7.345289268244436e-10 5.259482817042989e-10 ] [ -5.087455511091072e-10 5.462794223692647e-10 5.965901715273158e-10 ] [ -8.88110533558752e-11 6.233625428608838e-10 -1.290431823066543e-09 ] ] } "relaxed-potential-energy" { "source-value" -16.358076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.620852692846958e-18 } }