{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.9068887 -24.1778624 10.2981366 ] [ -18.6985774 27.7281552 -7.5762015 ] [ 0.2804585 -1.3506906 10.0136632 ] [ 9.7684927 0.2347619 -21.550839 ] [ 24.5565149 -2.434364 8.8152407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.548564539477863e-08 -3.873720619734715e-08 1.64994338342602e-08 ] [ -2.995842379932047e-08 4.44254023653656e-08 -1.213841301777575e-08 ] [ 4.49344055506689e-10 -2.16404491908344e-09 1.604365719978567e-08 ] [ 1.565085075333957e-08 3.761300307334446e-10 -3.452825068889592e-08 ] [ 3.934387438525284e-08 -3.900281119450775e-09 1.41235726726258e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.7952625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.478504263396425e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6366329 0.6755675 1.9718113 ] [ 2.2324606 3.3431954 1.6470543 ] [ 2.8606699 1.9111915 3.9123348 ] [ 3.567408 1.3189601 0.3442908 ] [ 4.7913985 2.5546624 2.284791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6366329e-10 6.755675e-11 1.9718113e-10 ] [ 2.2324606e-10 3.3431954e-10 1.6470543e-10 ] [ 2.8606699e-10 1.9111915e-10 3.9123348e-10 ] [ 3.567408e-10 1.3189601e-10 3.442908e-11 ] [ 4.7913985e-10 2.554662400000001e-10 2.284791e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.75e-05 2.22e-05 -5.7e-06 ] [ -2.18e-05 -1.65e-05 -1.3e-05 ] [ -9.8e-06 3.1e-06 -1.2e-06 ] [ -3.24e-05 6.1e-06 3.5e-06 ] [ 2.64e-05 -1.49e-05 1.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.008162377499999e-14 3.55683212748e-14 -9.1324068138e-15 ] [ -3.492745062119999e-14 -2.6435914461e-14 -2.082829624199999e-14 ] [ -1.57013310132e-14 4.9667475654e-15 -1.9226119608e-15 ] [ -5.19105229416e-14 9.773277467399999e-15 5.607618218999999e-15 ] [ 4.22974631376e-14 -2.38724318466e-14 2.61154791342e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072940742464e-18 } }