{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.1408026 -9.4035832 3.1199231 ] [ -11.6980729 -2.0769624 -23.2985776 ] [ -8.236485 14.6232525 8.0910219 ] [ 10.9768432 -12.0992784 -4.6346709 ] [ 7.201921 -8.6939365 21.7192984 ] [ 16.8965963 17.6505081 -4.9969949 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.425823994586786e-08 -1.506620115478765e-08 4.99866784951386e-09 ] [ -1.874237890879406e-08 -3.327660599560658e-09 -3.732843632861457e-08 ] [ -1.319630370456989e-08 2.342903327555515e-08 1.296324612656079e-08 ] [ 1.758684154522746e-08 -1.938518098103043e-08 -7.425561361082095e-09 ] [ 1.153874945104856e-08 -1.392922180301978e-08 3.479815211665884e-08 ] [ 2.707133156295578e-08 2.827923142306103e-08 -8.006068403036834e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 14.692655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.354022833848023e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0286612 0.2077612 1.9320958 ] [ 0.6012751 1.5316491 0.082004 ] [ 1.7015841 3.1182805 3.097977 ] [ 3.5303647 0.6045273 1.9218663 ] [ 1.672387 0.7201729 3.4818948 ] [ 2.5549462 2.5749795 0.8898633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.86612e-12 2.077612e-11 1.9320958e-10 ] [ 6.012751e-11 1.5316491e-10 8.2004e-12 ] [ 1.7015841e-10 3.1182805e-10 3.097977e-10 ] [ 3.5303647e-10 6.045273000000001e-11 1.9218663e-10 ] [ 1.672387e-10 7.201729e-11 3.4818948e-10 ] [ 2.5549462e-10 2.5749795e-10 8.898633000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 -2e-07 -1.16e-05 ] [ -5.1e-06 -1.06e-05 7.5e-06 ] [ 1.95e-05 -1.76e-05 -8.7e-06 ] [ 3.6e-06 9e-06 2e-07 ] [ -9.3e-06 1.51e-05 -1.8e-06 ] [ -6.4e-06 4.2e-06 1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-15 -3.2043532416e-16 -1.858524880128e-14 ] [ -8.17110076608e-15 -1.698307218048e-14 1.2016324656e-14 ] [ 3.12424441056e-14 -2.819830852608e-14 -1.393893660096e-14 ] [ 5.76783583488e-15 1.44195895872e-14 3.2043532416e-16 ] [ -1.490024257344e-14 2.419286697408e-14 -2.88391791744e-15 ] [ -1.025393037312e-14 6.72914180736e-15 2.32315610016e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }