{ "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" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8156806 -3.184048 7.5342518 ] [ -5.3875694 2.8488517 2.9221901 ] [ 6.2383457 -13.8713952 2.0419554 ] [ 82.3299757 3.7864304 31.716005 ] [ -78.3650714 10.4201611 -44.2144024 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.715570870560118e-09 -5.101407265104999e-09 1.207120208918032e-08 ] [ -8.631837735617484e-09 4.564363589866336e-09 4.681864659753215e-09 ] [ 9.994931633008211e-09 -2.222442508731734e-08 3.271573202596312e-09 ] [ 1.319071622575721e-07 6.066530263166392e-09 5.08146417161759e-08 ] [ -1.255546852844027e-07 1.669493849938961e-08 -7.08392818279234e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.384717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.824032741182432e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.033648 0.331873 3.1092338 ] [ -0.132764 2.0867367 2.0338933 ] [ 3.1060348 0.0584693 2.0014925 ] [ 3.3037817 1.8136057 0.4267451 ] [ 1.1425225 2.7374372 0.1499346 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.033648e-10 3.31873e-11 3.1092338e-10 ] [ -1.32764e-11 2.0867367e-10 2.0338933e-10 ] [ 3.1060348e-10 5.84693e-12 2.0014925e-10 ] [ 3.3037817e-10 1.8136057e-10 4.267451e-11 ] [ 1.1425225e-10 2.7374372e-10 1.499346e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.2e-06 2.3e-06 -6.3e-06 ] [ -2.8e-06 4.1e-06 -9e-07 ] [ -2.5e-06 -7.3e-06 5.1e-06 ] [ -4e-07 5.3e-06 -2e-07 ] [ -1.5e-06 -4.3e-06 2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.153567166976e-14 3.68500622784e-15 -1.009371271104e-14 ] [ -4.48609453824e-15 6.568924145279999e-15 -1.44195895872e-15 ] [ -4.005441552e-15 -1.169588933184e-14 8.17110076608e-15 ] [ -6.408706483200001e-16 8.491536090240001e-15 -3.2043532416e-16 ] [ -2.4032649312e-15 -6.889359469440001e-15 3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.976835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335826977917e-18 } }