{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3531439 -4.1831108 -4.8792167 ] [ -9.142587 6.4788724 -4.621367 ] [ -4.8247507 -5.5364619 5.1234547 ] [ -0.2998903 0.0954699 -0.0981004 ] [ 9.0929371 -6.3225738 3.7653444 ] [ 3.8197351 3.8032419 -4.85687 ] [ 3.7076996 5.6645623 5.566755 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.770152141958133e-09 -6.702082325975984e-09 -7.817366924556927e-09 ] [ -1.464803914503001e-08 1.038029788842639e-08 -7.404246163536634e-09 ] [ -7.730102772728434e-09 -8.870389818129947e-09 8.208679338067877e-09 ] [ -4.804772274646982e-10 1.529596417701139e-10 -1.571741673711283e-10 ] [ 1.456849123602495e-08 -1.012987992564261e-08 6.032746766940204e-09 ] [ 6.11989027486915e-09 6.093465255426972e-09 -7.781563564264896e-09 ] [ 5.940389616069512e-09 9.075629284125076e-09 8.918924714721503e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1200921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.203291858962776e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9459959 2.7538432 1.2039538 ] [ 1.5694823 5.1025304 1.101414 ] [ 2.2326151 2.2226338 3.5070542 ] [ 4.3379756 3.162068 1.0332889 ] [ 4.4936849 2.966447 3.452965 ] [ 3.9011436 5.5397946 1.3033713 ] [ 4.4206716 5.340462 3.618317 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9459959e-10 2.7538432e-10 1.2039538e-10 ] [ 1.5694823e-10 5.102530400000001e-10 1.101414e-10 ] [ 2.2326151e-10 2.2226338e-10 3.5070542e-10 ] [ 4.3379756e-10 3.162068e-10 1.0332889e-10 ] [ 4.4936849e-10 2.966447e-10 3.452965e-10 ] [ 3.9011436e-10 5.5397946e-10 1.3033713e-10 ] [ 4.420671600000001e-10 5.340462e-10 3.618317e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 1.1e-05 9e-07 ] [ 9.8e-06 1.81e-05 -2.67e-05 ] [ 5.2e-06 -1.46e-05 1.51e-05 ] [ 7e-07 1.14e-05 2e-06 ] [ -9e-07 1.7e-06 2e-07 ] [ -3.12e-05 -2.37e-05 1.17e-05 ] [ 1.2e-05 -4e-06 -3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.04957713152e-15 1.76239428288e-14 1.44195895872e-15 ] [ 1.570133088384e-14 2.899939683648e-14 -4.277811577536e-14 ] [ 8.33131842816e-15 -2.339177866368e-14 2.419286697408e-14 ] [ 1.12152363456e-15 1.826481347712e-14 3.2043532416e-15 ] [ -1.44195895872e-15 2.72370025536e-15 3.2043532416e-16 ] [ -4.998791056896e-14 -3.797158591296e-14 1.874546646336e-14 ] [ 1.92261194496e-14 -6.4087064832e-15 -5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.040115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929039076474339e-18 } }